N-(3-methyl-2-phenylbutyl)cyclopent-3-en-1-amine

C16H23N — CID 114011794

IUPACN-(3-methyl-2-phenylbutyl)cyclopent-3-en-1-amine
SMILESCC(C)C(CNC1CC=CC1)c1ccccc1
InChIInChI=1S/C16H23N/c1-13(2)16(14-8-4-3-5-9-14)12-17-15-10-6-7-11-15/h3-9,13,15-17H,10-12H2,1-2H3
InChIKeyMUAKXYKEBZKRIP-UHFFFAOYSA-N
MW229.37 g/mol
LogP3.73
Rot. Bonds5

About N-(3-methyl-2-phenylbutyl)cyclopent-3-en-1-amine

N-(3-methyl-2-phenylbutyl)cyclopent-3-en-1-amine (PubChem CID 114011794) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is N-(3-methyl-2-phenylbutyl)cyclopent-3-en-1-amine.

Molecular Properties

Compound NameN-(3-methyl-2-phenylbutyl)cyclopent-3-en-1-amine
PubChem CID114011794
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC NameN-(3-methyl-2-phenylbutyl)cyclopent-3-en-1-amine
SMILESCC(C)C(CNC1CC=CC1)c1ccccc1
InChIInChI=1S/C16H23N/c1-13(2)16(14-8-4-3-5-9-14)12-17-15-10-6-7-11-15/h3-9,13,15-17H,10-12H2,1-2H3
InChIKeyMUAKXYKEBZKRIP-UHFFFAOYSA-N
XLogP3.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3,5-dimethyl-N-(3-methyl-2-phenylbutyl)cyclohexan-1-amine
CID 107876205
2,2-dimethyl-N-(3-methyl-2-phenylbutyl)cyclopropan-1-amine
CID 107876110
3-methyl-N-(3-methyl-2-phenylbutyl)cyclohexan-1-amine
CID 107875909
3-ethyl-N-(3-methyl-2-phenylbutyl)cyclohexan-1-amine
CID 107876207
3,3-dimethyl-N-(3-methyl-2-phenylbutyl)cyclohexan-1-amine
CID 107876320
N-(2,2-dicyclopropylethyl)-3-methyl-2-phenylbutan-1-amine
CID 107876225
N-[(1S)-1-cyclopentylethyl]-3-methyl-2-phenylbutan-1-amine
CID 107876302
N-(3-methyl-2-phenylbutyl)hydroxylamine
CID 15169464
2,2-dimethyl-N-(3-methyl-2-phenylbutyl)cyclopentan-1-amine
CID 107876254
N-(1-cyclohexylethyl)-3-methyl-2-phenylbutan-1-amine
CID 107876129
N-[2-(3-methoxyphenyl)-3-methylbutyl]cyclopropanamine
CID 66244884
N-(2-phenylpropyl)cyclopropanamine;hydrochloride
CID 17158330

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-phenylbutyl)cyclopent-3-en-1-amine?
The IUPAC name of N-(3-methyl-2-phenylbutyl)cyclopent-3-en-1-amine (CID 114011794) is N-(3-methyl-2-phenylbutyl)cyclopent-3-en-1-amine.
What is the SMILES notation for N-(3-methyl-2-phenylbutyl)cyclopent-3-en-1-amine?
The canonical SMILES for N-(3-methyl-2-phenylbutyl)cyclopent-3-en-1-amine is CC(C)C(CNC1CC=CC1)c1ccccc1.
What is the InChIKey of N-(3-methyl-2-phenylbutyl)cyclopent-3-en-1-amine?
The InChIKey is MUAKXYKEBZKRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-13(2)16(14-8-4-3-5-9-14)12-17-15-10-6-7-11-15/h3-9,13,15-17H,10-12H2,1-2H3.
What are the key properties of N-(3-methyl-2-phenylbutyl)cyclopent-3-en-1-amine?
N-(3-methyl-2-phenylbutyl)cyclopent-3-en-1-amine has a molecular weight of 229.37 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-phenylbutyl)cyclopent-3-en-1-amine is sourced from PubChem (CID 114011794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).